Glycoside
GD156020
Name:
methyl 3-ethenyl-4-[2-(7-methyl-6-oxo-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,4aH,5H,6H,7H,7aH-cyclopenta[c]pyran-4-carbonyloxy)ethyl]-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-pyran-5-carboxylateFormula:
C33H46O19Smiles:
C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)OC)C1CCOC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C2C(C)C(=O)CC12Aglycone:
C=CC1C(O)OC=C(C(=O)OC)C1CCOC(=O)C1=COC(O)C2C(C)C(=O)CC12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.73 |
| AlogP: | -3.53 | Num_rotatable_bonds: | 12 |
| MolWt: | 746.71 | Num_heavy_atoms: | 52 |
| TPSA: | 286.89 | NumAromaticRings: | 0 |
Unique Aglycone
AD61820
Formula: C21H26O9
Smiles:
C=CC1C(O)OC=C(C(=O)OC)C1CCOC(=O)C1=COC(O)C2C(C)C(=O)CC12| HBA: | 9 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.57 |
| AlogP: | 0.82 | Num_rotatable_bonds: | 6 |
| MolWt: | 422.43 | Num_heavy_atoms: | 30 |
| TPSA: | 128.59 | NumAromaticRings: | 0 |
